2-[3-[[(2-fluorophenyl)methylamino]methyl]phenyl]ethanol

C16H18FNO — CID 67165994

IUPAC2-[3-[[(2-fluorophenyl)methylamino]methyl]phenyl]ethanol
SMILESOCCc1cccc(CNCc2ccccc2F)c1
InChIInChI=1S/C16H18FNO/c17-16-7-2-1-6-15(16)12-18-11-14-5-3-4-13(10-14)8-9-19/h1-7,10,18-19H,8-9,11-12H2
InChIKeyQZEPJHCFLSPNFO-UHFFFAOYSA-N
MW259.32 g/mol
LogP2.65
Rot. Bonds6

About 2-[3-[[(2-fluorophenyl)methylamino]methyl]phenyl]ethanol

2-[3-[[(2-fluorophenyl)methylamino]methyl]phenyl]ethanol (PubChem CID 67165994) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-[3-[[(2-fluorophenyl)methylamino]methyl]phenyl]ethanol.

Molecular Properties

Compound Name2-[3-[[(2-fluorophenyl)methylamino]methyl]phenyl]ethanol
PubChem CID67165994
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name2-[3-[[(2-fluorophenyl)methylamino]methyl]phenyl]ethanol
SMILESOCCc1cccc(CNCc2ccccc2F)c1
InChIInChI=1S/C16H18FNO/c17-16-7-2-1-6-15(16)12-18-11-14-5-3-4-13(10-14)8-9-19/h1-7,10,18-19H,8-9,11-12H2
InChIKeyQZEPJHCFLSPNFO-UHFFFAOYSA-N
XLogP2.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(2-fluorophenyl)methylamino]methyl]phenyl]ethanol?
The IUPAC name of 2-[3-[[(2-fluorophenyl)methylamino]methyl]phenyl]ethanol (CID 67165994) is 2-[3-[[(2-fluorophenyl)methylamino]methyl]phenyl]ethanol.
What is the SMILES notation for 2-[3-[[(2-fluorophenyl)methylamino]methyl]phenyl]ethanol?
The canonical SMILES for 2-[3-[[(2-fluorophenyl)methylamino]methyl]phenyl]ethanol is OCCc1cccc(CNCc2ccccc2F)c1.
What is the InChIKey of 2-[3-[[(2-fluorophenyl)methylamino]methyl]phenyl]ethanol?
The InChIKey is QZEPJHCFLSPNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c17-16-7-2-1-6-15(16)12-18-11-14-5-3-4-13(10-14)8-9-19/h1-7,10,18-19H,8-9,11-12H2.
What are the key properties of 2-[3-[[(2-fluorophenyl)methylamino]methyl]phenyl]ethanol?
2-[3-[[(2-fluorophenyl)methylamino]methyl]phenyl]ethanol has a molecular weight of 259.32 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(2-fluorophenyl)methylamino]methyl]phenyl]ethanol is sourced from PubChem (CID 67165994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).